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77931-63-6 | 3-METHYL-7,8-DIHYDROISOXAZOLO[4,5-D][1,3]OXAZEPIN-5(4H)-ONE
CAS No: 77931-63-6 Catalog No: AG0056II MDL No:
Product Description
Catalog Number:
AG0056II
Chemical Name:
3-METHYL-7,8-DIHYDROISOXAZOLO[4,5-D][1,3]OXAZEPIN-5(4H)-ONE
CAS Number:
77931-63-6
Molecular Formula:
C7H8N2O3
Molecular Weight:
168.1500
IUPAC Name:
3-methyl-7,8-dihydro-4H-[1,2]oxazolo[4,5-d][1,3]oxazepin-5-one
InChI:
InChI=1S/C7H8N2O3/c1-4-6-5(12-9-4)2-3-11-7(10)8-6/h2-3H2,1H3,(H,8,10)
InChI Key:
LKQZEUSXEROTKP-UHFFFAOYSA-N
SMILES:
O=C1OCCc2c(N1)c(C)no2
UNII:
6KN5IT0EX4
NSC Number:
353676
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.053g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.152g/mol
Monoisotopic Mass:
168.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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